[gmx-users] angke definition

Алексей Раевский rayevsky85 at gmail.com
Wed Oct 5 10:08:59 CEST 2011

Hi, i need your help again! this time in the selection of analyzing tools
and methods... I've found a water molecule near one of the ligand atoms.
It's stabile enough and the distance is about 3.3 A. But I want to make some
measurments, exactly angle degree identification. I want to calculate the
frequence of forming of angle (about 90 degree) between oxygen of the water
and the plane (formed by the atom of the ligand and several atoms around (it
is a first CA atom and carboxyl group CA-C-O-OH of aminoacid)). But a
from OW is connected exactly to C atom of carboxyl group. In other
case gromacs is trying to calculate an angle between OW and the whole,
unlimited plane... Can I do such analyze? Ormay be you can give me  some
Thank you!

Nemo me impune lacessit*
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